SCHEMBL21082489

SCHEMBL21082489

C[C@@]1(COC(=O)c2ccccc2)C[C@@H](O)[C@@H](O)O1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ SYNJ2 O15056 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SLC22A1 O15245 1/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNA5 P30532 1/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ NPC1 O15118 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23906729 0.81 ALDH1A1 (0.43) ALDH1A1LMNAGAATDP1TSHR
SCHEMBL16370390 0.78 LMNA (0.42) ALDH1A1LMNAGAASYNJ2TDP1
SCHEMBL21082360 0.78 LMNA (0.45) ALDH1A1LMNAGAATDP1TSHR
SCHEMBL16370388 0.78 LMNA (0.42) ALDH1A1LMNAGAASYNJ2TDP1
SCHEMBL21082485 0.78 GAA (0.45) ALDH1A1LMNAGAATSHRMAPK1
SCHEMBL15106356 0.76 ALDH1A1 (0.40) ALDH1A1LMNAGAASYNJ2TDP1
SCHEMBL15106358 0.76 ALDH1A1 (0.40) ALDH1A1LMNAGAASYNJ2TDP1
SCHEMBL26290153 0.75 LMNA (0.44) ALDH1A1LMNAGAASYNJ2TDP1
SCHEMBL21782408 0.75 GAA (0.53) ALDH1A1LMNAGAATDP1TSHR
SCHEMBL38654945 0.74 LMNA (0.49) ALDH1A1LMNAGAATDP1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4015005-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF ModernaTX, Inc. (US) 2022-06-22 — — EP disclosed
EP-3682905-B1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF MODERNATX INC (US) 2021-12-01 — — EP disclosed
EP-3682905-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF ModernaTX, Inc. (US) 2020-07-22 — — EP disclosed
EP-3492109-B1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF MODERNATX INC (US) 2020-03-04 — — EP disclosed
EP-3492109-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF Moderna Therapeutics, Inc. (US) 2019-06-05 — — EP disclosed
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